diff options
| -rw-r--r-- | gnu/packages/chemistry.scm | 69 |
1 files changed, 56 insertions, 13 deletions
diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm index db74a572aa..e42accfd47 100644 --- a/gnu/packages/chemistry.scm +++ b/gnu/packages/chemistry.scm @@ -73,7 +73,7 @@ (define-public avogadrolibs (package (name "avogadrolibs") - (version "1.93.0") + (version "1.100.0") (source (origin (method git-fetch) @@ -81,7 +81,7 @@ (url "https://github.com/OpenChemistry/avogadrolibs") (commit version))) (sha256 - (base32 "1xivga626n5acnmwmym8svl0pdri8hkp59czf04ri2zflnviyh39")) + (base32 "1l9bp3ba8yx9mk2in5v375jzi1w4y7l1xl37xqv869810drgjffc")) (file-name (git-file-name name version)))) (build-system cmake-build-system) (native-inputs @@ -91,18 +91,61 @@ pkg-config pybind11)) (inputs - (list glew - libarchive - libmsym - molequeue - python - spglib - qtbase-5)) + `(("glew" ,glew) + ("libarchive" ,libarchive) + ("libmsym" ,libmsym) + ("molequeue" ,molequeue) + ("python" ,python) + ("spglib" ,spglib) + ("qtbase-5" ,qtbase-5) + ("qtsvg-5" ,qtsvg-5) + ("avogadro-molecules" + ,(origin + (method git-fetch) + (uri + (git-reference + (url "https://github.com/openchemistry/molecules") + (commit "8a37883"))) + (file-name (git-file-name name version)) + (sha256 + (base32 + "00mfx0bwmqazbiklrvaijjd5n4wa5lp3z73291ihm78q0v9dzhl4")))) + ("avogadro-crystals" + ,(origin + (method git-fetch) + (uri + (git-reference + (url "https://github.com/openchemistry/crystals") + (commit "28404bd"))) + (file-name (git-file-name name version)) + (sha256 + (base32 + "0kcz99q5nfl2v2qmm9cqnbb2c2qqzw79vsnv557i7x64bxsxrw1m")))) + ("avogadro-fragments" + ,(origin + (method git-fetch) + (uri + (git-reference + (url "https://github.com/openchemistry/fragments") + (commit "c4943b5"))) + (file-name (git-file-name name version)) + (sha256 + (base32 + "17l6qmkc25wb0nvic708l25fxiy89b3vfs0x5d40qcnn27bid32n")))))) (arguments - '(#:configure-flags (list "-DENABLE_TESTING=ON" - (string-append "-DSPGLIB_INCLUDE_DIR=" - (assoc-ref %build-inputs "spglib") - "/include")))) + (list + #:configure-flags #~(list "-DENABLE_TESTING=ON") + #:phases + #~(modify-phases %standard-phases + (add-after 'unpack 'symlink + (lambda _ + (begin + (symlink (assoc-ref %build-inputs "avogadro-molecules") + "../molecules") + (symlink (assoc-ref %build-inputs "avogadro-crystals") + "../crystals") + (symlink (assoc-ref %build-inputs "avogadro-fragments") + "../fragments"))))))) (home-page "https://www.openchemistry.org/projects/avogadro2/") (synopsis "Libraries for chemistry, bioinformatics, and related areas") (description |