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new cmake harness, round 3#233

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loriab wants to merge 187 commits intoevaleev:features/new-cmake-harnessevaleev/libint:features/new-cmake-harnessfrom loriab:new-cmake-harness-lab-rb1loriab/libint:new-cmake-harness-lab-rb1Copy head branch name to clipboard

+2,599-1,829

Commits

Commits on Jan 15, 2022

• int_am.cmake work to allow arbitrary deriv, new components format, more validation. start INSTALL.md option documentation.

  loriab

  committed
  f9fd25c

• standardize copyright date for new files

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  671a2be

• misc. fixes

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  08ad883

• fill out options descriptions. simpler cmake if/else/endif syntax.

  loriab

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  74389ad

• Boost::boost -> Boost::headers upon CMake 3.15

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• new inbuilt CMake Python detection upon CMake 3.15

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  82541de

• TWOBODY -> ERI

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  80ab815

• more gha. bump cmake to 3.18

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• more gha fix

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• weird quotes gha behavior

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• gha after fixing features

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• use std::rand instead of std::random_device to seed RandomShellSet ... this should help with random deviations observed in eri validation

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Commits on Jan 16, 2022

• prefactors.cc: pacify gcc

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• fortran eri test must compare absolute precision, not relative, just like tests/eri/test.cc

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• Merge branch 'features/new-cmake-harness' into new-cmake-harness-lab-rb1

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• Merge branch 'features/new-cmake-harness' into new-cmake-harness-lab-rb1

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Commits on Jan 17, 2022

• separate target export files. remove full paths from install config.

  loriab

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  656b40a

Commits on Jan 18, 2022

• Merge branch 'features/new-cmake-harness' into new-cmake-harness-lab-rb1

  Show description for 26c2f0d
  evaleev

  committed
  26c2f0d

• int_am.cmake work to allow arbitrary deriv, new components format, more validation. start INSTALL.md option documentation.

  loriab

  committed
  702a24d

• standardize copyright date for new files

  loriab

  committed
  f0624df

• misc. fixes

  loriab

  committed
  a3c502b

• fill out options descriptions. simpler cmake if/else/endif syntax.

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  committed
  299f396

• Boost::boost -> Boost::headers upon CMake 3.15

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  committed
  8164585

• new inbuilt CMake Python detection upon CMake 3.15

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  b464394

• TWOBODY -> ERI

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  17dc02e

• more gha. bump cmake to 3.18

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  eac771c

• more gha fix

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• weird quotes gha behavior

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• gha after fixing features

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  560c71b

• use std::rand instead of std::random_device to seed RandomShellSet ... this should help with random deviations observed in eri validation

  

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  authored and

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  864022b

• prefactors.cc: pacify gcc

  

  evaleev

  authored and

  loriab

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  c85c416

• fortran eri test must compare absolute precision, not relative, just like tests/eri/test.cc

  

  evaleev

  authored and

  loriab

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  ac5ee1a

• separate target export files. remove full paths from install config.

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  ba21519

• move eigen detection to config

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  69d48fb

• fix up after rebase

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  c13828c

Commits on Jan 19, 2022

• organize lib defs, NS->L2, back to 3 char ordering component in Config

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  b15294f

• Merge branch 'new-cmake-harness-lab-rb1' of github.com:loriab/libint into new-cmake-harness-lab-rb1

  Show description for 9eaeeab
  evaleev

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• target documentation

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  14b875c

Commits on Jan 20, 2022

• hide libtool files

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  6828c7d

• reconsolidate version storage, computing, and transfer. get basis sets installed in versioned folder again.

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• 2.7.1 -> 2.7.0 btwn configure.ac -> CMakeLists.txt

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Commits on Jan 21, 2022

• fix datadir

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• one more fix

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• allow and document non-standard install locations

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• paths take 2

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  4ce4105

• Merge branch 'new-cmake-harness-lab-rb1' of github.com:loriab/libint into new-cmake-harness-lab-rb1

  evaleev

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• fixup

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  2c60cd3

• reconcile line numbers

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• help pkgconfig file paths

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  1574ad2

Commits on Jan 22, 2022

• work on aliases

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  bd81d66

Commits on Jan 24, 2022

• test BUILD_TESTING. simplify for newer cmake version

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  cc13041

Commits on Jan 25, 2022

• onebody and pure_sh components for psi

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  8893070

• cmake for doxygen. standardize some spacing

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  e2709e3

• add install component to library installs

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  f242c01

• tidy config file. more docs.

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  14118c7

Commits on Jan 28, 2022

• start sorting out gmp and mpfr

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• more dependencies

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• don't disable system gmp

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Commits on Jan 29, 2022

• Update INSTALL.md

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• help fortran maybe

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  65fbb53

• incomplete eigen edits

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  30f085e

• fix eigen

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  0b5f807

• Update INSTALL.md

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• Update INSTALL.md

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Commits on Jan 31, 2022

• misc tidying, tentative fort install

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Commits on Feb 1, 2022

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• correct desparate edits

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• bump version even with master

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• add t1g12 option

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• enable g12

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• rename targets, consolidate exports, remove windows no cmpld cxx

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• cmake back to 3.16

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Commits on Feb 12, 2022

• allow handing eigen3 btwn l2 library build and consumer build

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Commits on Feb 13, 2022

• cleanup

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Commits on Feb 14, 2022

• Update INSTALL.md

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Commits on Feb 15, 2022

• work on install

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• docs

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Commits on Feb 16, 2022

• more docs, xhost, libint2_realtype

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• more docs

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Commits on Feb 17, 2022

• more docs and eigen

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• typo

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• docs edits

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